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Volumn 107, Issue 47, 2010, Pages 20178-20183

Understanding the factors affecting the activation of alkane by Cp'Rh(CO2) (Cp' = Cp or Cp*)

Author keywords

Computation; Organometallic; Photochemistry; Sigma complex; Transition metal

Indexed keywords

ALKANE; CARBON; HYDROGEN;

EID: 78650585987     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1001249107     Document Type: Article
Times cited : (42)

References (28)
  • 2
    • 0000820085 scopus 로고
    • Selective intermolecular carbon-hydrogen bond activation by synthetic metal complexes in homogeneous solution
    • Arndtsen BA, Bergman RG, Mobley TA, Peterson TH (1995) Selective intermolecular carbon-hydrogen bond activation by synthetic metal complexes in homogeneous solution. Acc Chem Res 28:154-162.
    • (1995) Acc Chem Res , vol.28 , pp. 154-162
    • Arndtsen, B.A.1    Bergman, R.G.2    Mobley, T.A.3    Peterson, T.H.4
  • 3
    • 33845554568 scopus 로고
    • Carbon-hydrogen activation in completely saturated hydrocarbons: Direct observation of M+ R-H → M(R)(H)
    • Janowicz AH, Bergman RG (1982) Carbon-hydrogen activation in completely saturated hydrocarbons: Direct observation of M+ R-H → M(R)(H). J Am Chem Soc 104:352-354.
    • (1982) J Am Chem Soc , vol.104 , pp. 352-354
    • Janowicz, A.H.1    Bergman, R.G.2
  • 4
    • 0242524722 scopus 로고
    • Oxidative addition of the carbon-hydrogen bonds of neopentane and cyclohexane to a photochemically generated iridium(I) complex
    • Hoyano JK, Graham WAG (1982) Oxidative addition of the carbon-hydrogen bonds of neopentane and cyclohexane to a photochemically generated iridium(I) complex. J Am Chem Soc 104:3723-3725.
    • (1982) J Am Chem Soc , vol.104 , pp. 3723-3725
    • Hoyano, J.K.1    Wag, G.2
  • 5
    • 0001624209 scopus 로고
    • Intermediates in the time-resolved and matrix photochemistry of (?5-cyclopentadienyl)rhodium complexes: Roles of alkane activation and rhodium-rhodium bond formation
    • and references therein
    • Belt ST, Grevels F-W, Klotzb?cher WE, McCamley A, Perutz RN (1989) Intermediates in the time-resolved and matrix photochemistry of (?5-cyclopentadienyl)rhodium complexes: Roles of alkane activation and rhodium-rhodium bond formation. J Am Chem Soc 111:8373-8382 and references therein.
    • (1989) J Am Chem Soc 111 , pp. 8373-8382
    • Belt, S.T.1    Grevels, F.-W.2    Klotzbücher, W.E.3    McCamley, A.4    Perutz, R.N.5
  • 7
    • 0001691156 scopus 로고    scopus 로고
    • Sub-picosecond IR study of the reactive intermediate in an alkane C-H bond activation reaction by CpRh(CO) 2
    • Asbury JB, Ghosh HN, Yeston JS, Bergman RG, Lian TQ (1998) Sub-picosecond IR study of the reactive intermediate in an alkane C-H bond activation reaction by CpRh(CO) 2. Organometallics 17:3417-3419.
    • (1998) Organometallics , vol.17 , pp. 3417-3419
    • Asbury, J.B.1    Ghosh, H.N.2    Yeston, J.S.3    Bergman, R.G.4    Lian, T.Q.5
  • 8
    • 0030764976 scopus 로고    scopus 로고
    • The mechanism of a C-H bond activation reaction in roomtemperature alkane solution
    • Bromberg SE, et al. (1997) The mechanism of a C-H bond activation reaction in roomtemperature alkane solution. Science 278:260-263.
    • (1997) Science , vol.278 , pp. 260-263
    • Bromberg, S.E.1
  • 9
    • 0001269224 scopus 로고    scopus 로고
    • Prediction of the reactive intermediates in alkane activation by tris-pyrazolylborate rhodium carbonyl
    • Zaric S, Hall MB (1998) Prediction of the reactive intermediates in alkane activation by tris-pyrazolylborate rhodium carbonyl. J Phys Chem A 102:1963-1964.
    • (1998) J Phys Chem A , vol.102 , pp. 1963-1964
    • Zaric, S.1    Hall, M.B.2
  • 10
    • 38949165399 scopus 로고    scopus 로고
    • Probing the mechanism of carbon-hydrogen bond activation by photochemically generated hydridotris(pyrazolyl)borato carbonyl rhodium complexes: New experimental and theoretical investigations
    • Blake AJ, et al. (2008) Probing the mechanism of carbon-hydrogen bond activation by photochemically generated hydridotris(pyrazolyl)borato carbonyl rhodium complexes: New experimental and theoretical investigations. Organometallics 27:189-201.
    • (2008) Organometallics , vol.27 , pp. 189-201
    • Blake, A.J.1
  • 11
    • 0024784225 scopus 로고
    • 4 (M = ruthenium, osmium) and their ability to activate the carbonhydrogen bond in methane
    • 4 (M = ruthenium, osmium) and their ability to activate the carbonhydrogen bond in methane. J Am Chem Soc 111:9177-9185.
    • (1989) J Am Chem Soc , vol.111 , pp. 9177-9185
    • Ziegler, T.1    Tschinke, V.2    Fan, L.3    Becke, A.D.4
  • 12
    • 0000854022 scopus 로고
    • Theoretical studies of inorganic and organometallic reaction mechanisms 6: Methane activation on transient cyclopentadienylcarbonylrhodium
    • Song J, Hall MB (1993) Theoretical studies of inorganic and organometallic reaction mechanisms 6: Methane activation on transient cyclopentadienylcarbonylrhodium. Organometallics 12:3118-3126.
    • (1993) Organometallics , vol.12 , pp. 3118-3126
    • Song, J.1    Hall, M.B.2
  • 13
    • 0029962350 scopus 로고    scopus 로고
    • Comparison of the C-H activation of methane by M(C5H5)(CO) for M = cobalt, rhodium, and iridium
    • Siegbahn PEM (1996) Comparison of the C-H activation of methane by M(C5H5)(CO) for M = cobalt, rhodium, and iridium. J Am Chem Soc 118:1487-1496.
    • (1996) J Am Chem Soc , vol.118 , pp. 1487-1496
    • Pem, S.1
  • 14
    • 33748500031 scopus 로고    scopus 로고
    • Controversial exothermicity of the oxidative addition of methane to (cyclopentadienyl)rhodium carbonyl
    • Couty M, Bayse CA, Jimenez-Catano R, Hall MB (1996) Controversial exothermicity of the oxidative addition of methane to (cyclopentadienyl)rhodium carbonyl. J Phys Chem 100:13976-13978.
    • (1996) J Phys Chem , vol.100 , pp. 13976-13978
    • Couty, M.1    Bayse, C.A.2    Jimenez-Catano, R.3    Hall, M.B.4
  • 15
    • 34547496577 scopus 로고    scopus 로고
    • Coordination chemistry of saturated molecules special feature: Structural and dynamic properties of propane coordinated to TpRh (CNR) from a confrontation between theory and experiment
    • and references therein
    • Clot E, Eisenstein O, Jones WD (2007) Coordination chemistry of saturated molecules special feature: Structural and dynamic properties of propane coordinated to TpRh (CNR) from a confrontation between theory and experiment. Proc Natl Acad Sci USA 104:6939-6944 and references therein.
    • (2007) Proc Natl Acad Sci USA , vol.104 , pp. 6939-6944
    • Clot, E.1    Eisenstein, O.2    Jones, W.D.3
  • 16
    • 0242695595 scopus 로고    scopus 로고
    • Using picosecond and nanosecond time-resolved infrared spectroscopy for the investigation of excited states and reaction intermediates of inorganic systems
    • Kuimova MK, et al. (2003) Using picosecond and nanosecond time-resolved infrared spectroscopy for the investigation of excited states and reaction intermediates of inorganic systems. Dalton Trans 3996-4006.
    • (2003) Dalton Trans , pp. 3996-4006
    • Kuimova, M.K.1
  • 17
    • 0000570246 scopus 로고
    • Time-resolved IR spectroscopy in liquid rare gases: Direct rate measurement of an intermolecular alkane carbon-hydrogen oxidative addition reaction
    • Weiller BH, Wasserman EP, Bergman RG, Moore CB, Pimentel GC (1989) Time-resolved IR spectroscopy in liquid rare gases: Direct rate measurement of an intermolecular alkane carbon-hydrogen oxidative addition reaction. J Am Chem Soc 111:8288-8290.
    • (1989) J Am Chem Soc , vol.111 , pp. 8288-8290
    • Weiller, B.H.1    Wasserman, E.P.2    Bergman, R.G.3    Moore, C.B.4    Pimentel, G.C.5
  • 18
    • 0001190103 scopus 로고    scopus 로고
    • Theoretical studies on reactions of transition-metal complexes
    • and references therein
    • Niu S, Hall MB (2000) Theoretical studies on reactions of transition-metal complexes. Chem Rev 100:353-406 and references therein.
    • (2000) Chem Rev , vol.100 , pp. 353-406
    • Niu, S.1    Hall, M.B.2
  • 19
    • 77349090180 scopus 로고    scopus 로고
    • C-H bond activation in transition metal species from a computational perspective
    • and references therein
    • Balcells D, Clot E, Eisenstein O (2010) C-H bond activation in transition metal species from a computational perspective. Chem Rev 110:749-823 and references therein.
    • (2010) Chem Rev , vol.110 , pp. 749-823
    • Balcells, D.1    Clot, E.2    Eisenstein, O.3
  • 20
    • 0005218784 scopus 로고    scopus 로고
    • Ab initio calculations of the geometries and bonding energies of alkane and fluoroalkane complexes with tungsten pentacarbonyl
    • Zaric S, Hall MB (1997) Ab initio calculations of the geometries and bonding energies of alkane and fluoroalkane complexes with tungsten pentacarbonyl. J Phys Chem A 101:4646-4652.
    • (1997) J Phys Chem A , vol.101 , pp. 4646-4652
    • Zaric, S.1    Hall, M.B.2
  • 21
    • 0000812183 scopus 로고
    • Theoretical studies of medium effects on conformational equilibria
    • Jorgensen WL (1983) Theoretical studies of medium effects on conformational equilibria. J Phys Chem 87:5304-5314.
    • (1983) J Phys Chem , vol.87 , pp. 5304-5314
    • Jorgensen, W.L.1
  • 22
    • 33751271191 scopus 로고    scopus 로고
    • Conformation of alkanes in the gas phase and pure liquids
    • Thomas LL, Christakis TJ, Jorgensen WL (2006) Conformation of alkanes in the gas phase and pure liquids. J Phys Chem B 110:21198-21204.
    • (2006) J Phys Chem B , vol.110 , pp. 21198-21204
    • Thomas, L.L.1    Christakis, T.J.2    Jorgensen, W.L.3
  • 23
    • 0001037611 scopus 로고
    • Investigation of intramolecular interactions in n-alkanes. Cooperative energy increments associated with GG and GTG' [G = gauche, T = trans] sequences
    • Tsuzuki S, et al. (1991) Investigation of intramolecular interactions in n-alkanes. Cooperative energy increments associated with GG and GTG' [G = gauche, T = trans] sequences. J Am Chem Soc 113:4665-4671.
    • (1991) J Am Chem Soc , vol.113 , pp. 4665-4671
    • Tsuzuki, S.1
  • 24
    • 0001601099 scopus 로고
    • Structure and rotational isomerization of free hydrocarbon chains
    • Bartell LS, Kohl DA (1963) Structure and rotational isomerization of free hydrocarbon chains. J Chem Phys 39:3097-3105.
    • (1963) J Chem Phys , vol.39 , pp. 3097-3105
    • Bartell, L.S.1    Kohl, D.A.2
  • 25
    • 36749109213 scopus 로고
    • Statistical mechanics of small chain molecules in liquids. I. Effects of liquid packing on conformational structures
    • Pratt LR, Hsu CS, Chandler D (1978) Statistical mechanics of small chain molecules in liquids. I. Effects of liquid packing on conformational structures. J Chem Phys 68:4202-4212.
    • (1978) J Chem Phys , vol.68 , pp. 4202-4212
    • Pratt, L.R.1    Hsu, C.S.2    Chandler, D.3
  • 27
    • 78650566732 scopus 로고
    • Aromatic complexes of metals. XLII. Cyclopentadienyl-rhodium- dicarbonyl
    • Bittler K, Fischer EO (1961) Aromatic complexes of metals. XLII. Cyclopentadienyl-rhodium- dicarbonyl. Z Naturforsch B 16:225.
    • (1961) Z Naturforsch B , vol.16 , pp. 225
    • Bittler, K.1    Fischer, E.O.2
  • 28
    • 0012808406 scopus 로고    scopus 로고
    • Development of a broadband picosecond infrared spectrometer and its incorporation into an existing ultrafast time-resolved resonance Raman,UV/visible, and fluorescence spectroscopic apparatus
    • Towrie M, et al. (2003) Development of a broadband picosecond infrared spectrometer and its incorporation into an existing ultrafast time-resolved resonance Raman, UV/visible, and fluorescence spectroscopic apparatus. Appl Spectrosc 57:367-380.
    • (2003) Appl Spectrosc , vol.57 , pp. 367-380
    • Towrie, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.